cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H19N3O3S — CID 106319449

About cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106319449) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
• PubChem CID: 106319449
• Molecular Formula: C13H19N3O3S
• Molecular Weight: 297.38 g/mol
• Exact Mass: 297.11
• IUPAC Name: cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
• SMILES: CCc1nc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)sc1C
• InChI: InChI=1S/C13H19N3O3S/c1-3-10-7(2)20-13(15-10)16-12(19)14-9-5-4-8(6-9)11(17)18/h8-9H,3-6H2,1-2H3,(H,17,18)(H2,14,15,16,19)/t8-,9+/m1/s1
• InChIKey: MQTQHDBECCIZKG-BDAKNGLRSA-N
• XLogP: 2.39
• TPSA: 91.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.38
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 106319449) is cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CCc1nc(NC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)sc1C.

What is the InChIKey of cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?

The InChIKey is MQTQHDBECCIZKG-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-10-7(2)20-13(15-10)16-12(19)14-9-5-4-8(6-9)11(17)18/h8-9H,3-6H2,1-2H3,(H,17,18)(H2,14,15,16,19)/t8-,9+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).